2,2-difluoro-N-(2-hydroxyethyl)propanamide

• ChemBase ID: 19135
• Molecular Formular: C5H9F2NO2
• Molecular Mass: 153.1272664
• Monoisotopic Mass: 153.06013497
• SMILES: C(=O)(C(C)(F)F)NCCO
• Canonical SMILES: OCCNC(=O)C(F)(F)C
• InChI: InChI=1S/C5H9F2NO2/c1-5(6,7)4(10)8-2-3-9/h9H,2-3H2,1H3,(H,8,10)
• InChIKey: QGRLXCZSOWEORV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-N-(2-hydroxyethyl)propanamide
• IUPAC Traditional name: 2,2-difluoro-N-(2-hydroxyethyl)propanamide
• Synonyms: 2,2-Difluoro-N-(2-hydroxyethyl)propionamide

Database IDs

• MDL Number: MFCD08687553
• PubChem SID: 160982442
• PubChem CID: 26188900

CALCULATED PROPERTIES

• Acid pKa: 8.395012
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.60557306
• LogD (pH = 7.4): -0.6419507
• Log P: -0.6050834
• Molar Refractivity: 30.7972 cm^3
• Polarizability: 11.573371 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 85°C/0.2mm

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%